Structure of PDB 6yqa Chain BBB Binding Site BS01

Receptor Information

>6yqa Chain BBB (length=476) Species: 5062 (Aspergillus oryzae)

ATPADWRSQSIYFLLTDRFARTDGSTTATCNTADQKYCGGTWQGIIDKLD
YIQGMGFTAIWITPVTAQLPQTTAYGDAYHGYWQQDIYSLNENYGTADDL
KALSSALHERGMYLMVDVVANHMGYDGAGSSVDYSVFKPFSSQDYFHPFC
FIQNYEDQTQVEDCWLGDNTVSLPDLDTTKDVVKNEWYDWVGSLVSNYSI
DGLRIDTVKHVQKDFWPGYNKAAGVYCIGEVLDGDPAYTCPYQNVMDGVL
NYPIYYPLLNAFKSTSGSMDDLYNMINTVKSDCPDSTLLGTFVENHDNPR
FASYTNDIALAKNVAAFIILNDGIPIIYAGQEQHYAGGNDPANREATWLS
GYPTDSELYKLIASANAIRNYAISKDTGFVTYKNWPIYKDDTTIAMRKGT
DGSQIVTILSNKGASGDSYTLSLSGAGYTAGQQLTEVIGCTTVTVGSDGN
VPVPMAGGLPRVLYPTEKLAGSKICS

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 6yqa Chain BBB Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6yqa Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
• Resolution: 1.67 Å
• Binding residue (original residue number in PDB): N121 E162 D175 H210
• Binding residue (residue number reindexed from 1): N121 E162 D175 H210
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): R204 D206 E230 H296 D297
• Catalytic site (residue number reindexed from 1): R204 D206 E230 H296 D297
• Enzyme Commision number: 3.2.1.1: alpha-amylase.

Gene Ontology

Molecular Function

• GO:0004556 alpha-amylase activity
• GO:0005509 calcium ion binding
• GO:0043169 cation binding

Biological Process

• GO:0005975 carbohydrate metabolic process
• GO:0016052 carbohydrate catabolic process

External links

• PDB: RCSB:6yqa, PDBe:6yqa, PDBj:6yqa
• PDBsum: 6yqa
• PubMed: 33497208
• UniProt: A0A1S9DH83